(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

C17H19N3O3S3 — CID 20973647

IUPAC(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)C1CCCO1
InChIInChI=1S/C17H19N3O3S3/c21-15(12-9-24-10-20(12)17(22)13-3-1-5-23-13)18-7-11-8-26-16(19-11)14-4-2-6-25-14/h2,4,6,8,12-13H,1,3,5,7,9-10H2,(H,18,21)/t12-,13?/m1/s1
InChIKeyZLYYODBNHYVVPZ-PZORYLMUSA-N
MW409.56 g/mol
LogP2.57
Rot. Bonds5

About (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 20973647) has the molecular formula C17H19N3O3S3 and a molecular weight of 409.56 g/mol. Its IUPAC name is (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID20973647
Molecular FormulaC17H19N3O3S3
Molecular Weight409.56 g/mol
Exact Mass409.06
IUPAC Name(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)C1CCCO1
InChIInChI=1S/C17H19N3O3S3/c21-15(12-9-24-10-20(12)17(22)13-3-1-5-23-13)18-7-11-8-26-16(19-11)14-4-2-6-25-14/h2,4,6,8,12-13H,1,3,5,7,9-10H2,(H,18,21)/t12-,13?/m1/s1
InChIKeyZLYYODBNHYVVPZ-PZORYLMUSA-N
XLogP2.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973637
(4S)-3-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973635
(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973622
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 46385745
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 119114246
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390038

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 20973647) is (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)C1CCCO1.
What is the InChIKey of (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZLYYODBNHYVVPZ-PZORYLMUSA-N. The full InChI is InChI=1S/C17H19N3O3S3/c21-15(12-9-24-10-20(12)17(22)13-3-1-5-23-13)18-7-11-8-26-16(19-11)14-4-2-6-25-14/h2,4,6,8,12-13H,1,3,5,7,9-10H2,(H,18,21)/t12-,13?/m1/s1.
What are the key properties of (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 20973647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).